SCHEMBL7741701

SCHEMBL7741701

CNC1CCc2c(OC)ccc3occ1c23

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
NR1I2 O75469 1/20 0.40
PDPK1 O15530 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ADRA1A P35348 1/20 0.37
MTNR1A P48039 9/20 0.35
MTNR1B P49286 9/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27521768 0.78 PDPK1 (0.36) PDPK1DRD2MTNR1AKDM4E
SCHEMBL7743295 0.78 HTR1A (0.63) HTR1ANR1I2PDPK1DRD2DRD4
SCHEMBL7741698 0.77 HTR1A (0.65) HTR1AADRA1AMTNR1AMTNR1B
SCHEMBL7740248 0.75 HTR1A (0.56) HTR1AADRA1AMTNR1AMTNR1B
SCHEMBL6678870 0.74 MTNR1A (0.57) NR1I2PDPK1DRD2DRD4DRD3
SCHEMBL7735727 0.73 MTNR1A (0.65) HTR1AMTNR1AMTNR1B
SCHEMBL7743369 0.73 NR1I2 (0.40) NR1I2PDPK1DRD2DRD4DRD3
SCHEMBL14322492 0.72 DRD2 (0.55) HTR1APDPK1DRD2DRD4DRD3
SCHEMBL6633828 0.68 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL28458042 0.63 CA1 (0.48) DRD2DRD4DRD3ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed